From 164bf7905318f35fb771863deb92a83911cff49b Mon Sep 17 00:00:00 2001
From: Anthony Scemama <scemama@irsamc.ups-tlse.fr>
Date: Wed, 13 May 2020 00:54:02 +0200
Subject: [PATCH] Fixed Python3

---
 stable/champ/qp_convert.py | 33 ++++++++++++++++-----------------
 1 file changed, 16 insertions(+), 17 deletions(-)

diff --git a/stable/champ/qp_convert.py b/stable/champ/qp_convert.py
index 6e218a2..c6e6459 100755
--- a/stable/champ/qp_convert.py
+++ b/stable/champ/qp_convert.py
@@ -93,7 +93,7 @@ process = subprocess.Popen(
     stdout=subprocess.PIPE)
 out, err = process.communicate()
 
-basis_raw, sym_raw, _ = out.split("\n\n\n")
+basis_raw, sym_raw, _ = out.decode().split("\n\n\n")
 
 #  _                 __
 # |_)  _.  _ o  _   (_   _ _|_
@@ -131,24 +131,20 @@ print("END_BASIS_SET")
 #
 # Function
 #
-d_gms_order ={ 0:["s"],
-     1:[ "x", "y", "z" ],
-     2:[ "xx", "yy", "zz", "xy", "xz", "yz" ],
-     3:[ "xxx", "yyy", "zzz", "xxy", "xxz", "yyx", "yyz", "zzx", "zzy", "xyz"],
-     4:[ "xxxx", "yyyy", "zzzz", "xxxy", "xxxz", "yyyx", "yyyz", "zzzx", "zzzy", "xxyy", "xxzz", "yyzz", "xxyz", "yyxz", "zzxy"] }
+d_gms_order = ["s",
+      "x", "y", "z" ,
+      "xx", "yy", "zz", "xy", "xz", "yz" ,
+      "xxx", "yyy", "zzz", "xxy", "xxz", "yyx", "yyz", "zzx", "zzy", "xyz",
+      "xxxx", "yyyy", "zzzz", "xxxy", "xxxz", "yyyx", "yyyz", "zzzx", "zzzy", "xxyy", "xxzz", "yyzz", "xxyz", "yyxz", "zzxy"] 
 
-def compare_gamess_style(item1, item2):
-    n1,n2 = list(map(len,(item1,item2)))
-    assert (n1 == n2)
+def key_gamess_style(item1):
     try:
-        l = d_gms_order[n1]
-    except KeyError:
+        l = d_gms_order.index(item1)
+    except ValueError:
         return 0
-#       raise (KeyError, "We dont handle L than 4")
     else:
-        a = l.index(item1)
-        b = l.index(item2)
-        return cmp( a, b )
+        result = d_gms_order.index(item1)
+    return result
 
 def expend_sym_str(str_):
     #Expend x2 -> xx
@@ -184,6 +180,7 @@ def get_nb_permutation(str_):
     if (str_) == 's': return 1
     else: return n_orbital(len(str_))
 
+import functools
 def order_l_l_sym(l_l_sym):
     n = 1
     iter_ = list(range(len(l_l_sym)))
@@ -195,9 +192,11 @@ def order_l_l_sym(l_l_sym):
         l = l_l_sym[i]
         n = get_nb_permutation(l[2])
 
+        def local_key(x):
+          return key_gamess_style(x[2])
+
         l_l_sym[i:i + n] = sorted(l_l_sym[i:i + n],
-                                  key=lambda x: x[2],
-                                  cmp=compare_gamess_style)
+                                  key=local_key)
 
 
     return l_l_sym